Crystallography Open Database

Information card for entry 2235585

Preview

Coordinates	2235585.cif
Structure factors	2235585.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis[μ-<i>N</i>-(2,4,6-trimethylphenyl)acetamidato]- κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[(benzonitrile- κ<i>N</i>)rhodium(II)](<i>Rh</i>—<i>Rh</i>)
Formula	C58 H66 N6 O4 Rh2
Calculated formula	C58 H66 N6 O4 Rh2
SMILES	C(c1ccccc1)#[N][Rh]1234[N](=C(C)O[Rh]4([N]#Cc4ccccc4)([N](=C(C)O2)c2c(cc(cc2C)C)C)([N](=C(C)O3)c2c(cc(cc2C)C)C)OC(C)=[N]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Tetrakis[μ-<i>N</i>-(2,4,6-trimethylphenyl)acetamidato]-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[(benzonitrile-κ<i>N</i>)rhodium(II)](<i>Rh</i>—<i>Rh</i>)
Authors of publication	Eagle, Cassandra T.; Kpogo, Kenneth K.; Zink, Landon C.; Smith, Albert E.
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	7
Pages of publication	m877
a	10.9928 ± 0.0019 Å
b	10.9928 ± 0.0019 Å
c	21.4549 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2592.6 ± 0.7 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
181277 (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 2/23/55.	2235585.cif 2235585.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.	2235585.cif 2235585.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2235585.cif 2235585.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.	2235585.cif 2235585.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2235585.cif 2235585.hkl
64055	2012-08-11	cif/ Adding structures of 2235585 via cif-deposit CGI script.	2235585.cif