Crystallography Open Database

Information card for entry 2233194

Preview

Coordinates	2233194.cif
Structure factors	2233194.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[bis(μ-2-formyl-6-methoxyphenolato- 1:2κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^1^,<i>O</i>^2^)copper(II)sodium]- μ-tetrafluoridoborate-1:1'κ^2^<i>F</i>:<i>F</i>']
Formula	C16 H14 B Cu F4 Na O6
Calculated formula	C16 H14 B Cu F4 Na O6
SMILES	[B]([F-])(F)(F)F.c1([O]([Na]234)C)cccc5c1[O]2[Cu]1([O]=C5)[O]3c2c([O]4C)cccc2C=[O]1
Title of publication	<i>catena</i>-Poly[[bis(μ-2-formyl-6-methoxyphenolato-1:2κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^1^,<i>O</i>^2^)copper(II)sodium]-μ-tetrafluoridoborate-1:1'κ^2^<i>F</i>:<i>F</i>']
Authors of publication	Yang, Yu; Gao, Po; Yang, Jing-Lin; Hou, Hai-Ge; Gao, Ting
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	1
Pages of publication	m37
a	9.932 ± 0.002 Å
b	19.349 ± 0.004 Å
c	9.94 ± 0.002 Å
α	90°
β	105.16 ± 0.03°
γ	90°
Cell volume	1843.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1308
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181253 (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 2/23/31.	2233194.cif 2233194.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.	2233194.cif 2233194.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2233194.cif 2233194.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.	2233194.cif 2233194.hkl
34292	2012-02-14	hkl/ Adding Fobs data for the recently deposited IUCr structures.	2233194.cif 2233194.hkl
32253	2012-02-08	../uploads/cif-deposit/cod/cif Adding structures of 2233194 via cif-deposit CGI script.	2233194.cif