Crystallography Open Database

Information card for entry 2230496

Preview

Coordinates	2230496.cif
Structure factors	2230496.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[tetrakis(cyanido-κ<i>C</i>)tungstate(IV)]-di-μ-cyanido- κ^4^<i>C</i>:<i>N</i>-bis[diaqua(2,2'-bipyridyl- κ^2^<i>N</i>,<i>N</i>')manganese(II)]-di-μ-cyanido-κ^4^<i>N</i>:<i>C</i>] hexahydrate]
Formula	C28 H34 Mn2 N12 O10 W
Calculated formula	C28 H34 Mn2 N12 O10 W
SMILES	[W]1(C#N)(C#[N][Mn]2([OH2])([OH2])[n]3ccccc3c3[n]2cccc3)(C#[N][Mn]2([OH2])([OH2])[n]3ccccc3c3[n]2cccc3)(C#N)(C#N)(C#N)(C#N)C#[N][Mn]2([OH2])([OH2])([n]3ccccc3c3[n]2cccc3)[N]#C[W](C#[N][Mn]2([N]#C1)([OH2])([OH2])[n]1ccccc1c1[n]2cccc1)(C#N)(C#N)(C#N)(C#N)C#N.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	<i>catena</i>-Poly[[[tetrakis(cyanido-κ<i>C</i>)tungstate(IV)]-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-bis[diaqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-di-μ-cyanido-κ^4^<i>N</i>:<i>C</i>] hexahydrate]
Authors of publication	Ozaki, Noriaki; Yamada, Ryo; Nakabayashi, Koji; Ohkoshi, Shin-ichi
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	6
Pages of publication	m702 - m703
a	11.6673 ± 0.0003 Å
b	15.5511 ± 0.0004 Å
c	21.4339 ± 0.0007 Å
α	90°
β	99.213 ± 0.001°
γ	90°
Cell volume	3838.79 ± 0.19 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181226 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/04.	2230496.cif 2230496.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2230496.cif 2230496.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2230496.cif 2230496.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2230496.cif 2230496.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230496.cif 2230496.hkl
22560	2011-07-04	hkl/ Adding Fobs files for the recent IUCr data deposition.	2230496.cif 2230496.hkl
22488	2011-07-04	../uploads/cif-deposit/cod/cif Adding structures of 2230496 via cif-deposit CGI script.	2230496.cif