Crystallography Open Database

Information card for entry 7218998

Preview

Coordinates	7218998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 Br6 Cl0 Fe2 N2 O2 P4 Ru
Calculated formula	C54 H52 Br6 Fe2 N2 O2 P4 Ru
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	11.701 ± 0.003 Å
b	13.478 ± 0.004 Å
c	21.08 ± 0.008 Å
α	83.673 ± 0.013°
β	77.949 ± 0.013°
γ	65.687 ± 0.009°
Cell volume	2961.7 ± 1.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0897
Residual factor for significantly intense reflections	0.0817
Weighted residual factors for significantly intense reflections	0.22
Weighted residual factors for all reflections included in the refinement	0.231
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7218998.cif
128068	2014-12-03	cif/ Adding structures of 7218995, 7218996, 7218997, 7218998, 7218999, 7219000 via cif-deposit CGI script.	7218998.cif