Crystallography Open Database

Information card for entry 7218996

Preview

Coordinates	7218996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H46 Cl2 F0 N2 O0 Os P4
Calculated formula	C53 H46 Cl2 N2 Os P4
SMILES	[Os]12(C#N)(C#N)([P](c3ccccc3)(c3ccccc3)C[P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	Synthesis, Crystal Structure and MMCT of New Cyanide-bridged Complexes cis-MII(dppm)2(CN)2(FeIIIX3)2 (M = Ru，Os)
Authors of publication	Sheng, Tianlu; Wang, Yong; Song, Jinshuai; Ma, Xiao; Xue, Zhenzhen; Hu, Shengmin; Fu, Ruibiao; Li, Chunsen; Wu, Xintao
Journal of publication	RSC Adv.
Year of publication	2014
a	11.028 ± 0.004 Å
b	11.737 ± 0.004 Å
c	20.245 ± 0.006 Å
α	91.838 ± 0.003°
β	105.346 ± 0.004°
γ	109.564 ± 0.002°
Cell volume	2360 ± 1.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180520 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/89.	7218996.cif
128068	2014-12-03	cif/ Adding structures of 7218995, 7218996, 7218997, 7218998, 7218999, 7219000 via cif-deposit CGI script.	7218996.cif