Crystallography Open Database

Information card for entry 2237960

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Structure parameters

Chemical name	<i>cis</i>-Tetrakis(μ-<i>N</i>-phenylacetamidato)-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	C46 H42 N6 O4 Rh2
Calculated formula	C46 H42 N6 O4 Rh2
SMILES	c1(ccccc1)N1[Rh]234([N]#Cc5ccccc5)N(C(C)=[O][Rh]4(N(C(C)=[O]2)c2ccccc2)(N(C(C)=[O]3)c2ccccc2)([N]#Cc2ccccc2)[O]=C1C)c1ccccc1
Title of publication	<i>cis</i>-Tetrakis(μ-<i>N</i>-phenylacetamidato)-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.; Quarshie, Fredricka; Ketron, Megan E.; Atem-Tambe, Nkongho
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	6
Pages of publication	m329
a	10.2115 ± 0.0007 Å
b	9.9667 ± 0.0007 Å
c	21.3672 ± 0.0016 Å
α	90°
β	100.971 ± 0.007°
γ	90°
Cell volume	2134.9 ± 0.3 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for all reflections included in the refinement	0.0544
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
181301 (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 2/23/79.	2237960.cif 2237960.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.	2237960.cif 2237960.hkl
88055	2013-08-28	cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently.	2237960.cif 2237960.hkl
88054	2013-08-28	cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data.	2237960.cif 2237960.hkl
86648	2013-07-11	cif/ Adding structures of 2237960 via cif-deposit CGI script.	2237960.cif