Crystallography Open Database

Information card for entry 7219000

7218999 << 7219000 >> 7219001

Preview

Coordinates	7219000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H44 Br6 Fe2 N2 O0 Os P4
Calculated formula	C52 H44 Br6 Fe2 N2 Os P4
SMILES	[Os]12([P](c3ccccc3)(c3ccccc3)C[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(C#[N][Fe](Br)(Br)Br)C#[N][Fe](Br)(Br)Br
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	11.695 ± 0.002 Å
b	13.44 ± 0.003 Å
c	20.777 ± 0.005 Å
α	82.415 ± 0.009°
β	81.139 ± 0.008°
γ	65.16 ± 0.006°
Cell volume	2920 ± 1.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0939
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.2256
Weighted residual factors for all reflections included in the refinement	0.2382
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180521 (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 7/21/90.	7219000.cif
128068	2014-12-03	cif/ Adding structures of 7218995, 7218996, 7218997, 7218998, 7218999, 7219000 via cif-deposit CGI script.	7219000.cif