Crystallography Open Database

Information card for entry 7044647

Preview

Coordinates	7044647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H59 Cl4 Fe N2 O Os P3 S2
Calculated formula	C71 H59 Cl4 Fe N2 O Os P3 S2
SMILES	[Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([O]=C(C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C1)[c]12[Fe]3456789([cH]1[cH]3[cH]5[cH]24)[cH]1[cH]6[cH]8[cH]7[cH]91)(N=C=S)N=C=S.ClCCl.ClCCl
Title of publication	Syntheses, structural characterisation and electronic structures of ferrocenyl-osmafuran heterobinuclear organometallic complexes
Authors of publication	Liu, Bin; Guo, Chun-Lan; Liu, Wen-Xia; Guo, Ming-E.; Yan, Feng; Xue, Lu-Sha; Wang, Huijuan; Liu, Chang-Lin; Jin, Shan
Journal of publication	Dalton Transactions
Year of publication	2017
a	11.3898 ± 0.0019 Å
b	13.782 ± 0.002 Å
c	22.283 ± 0.004 Å
α	95.356 ± 0.002°
β	97.768 ± 0.002°
γ	111.383 ± 0.002°
Cell volume	3188.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0634
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1721
Weighted residual factors for all reflections included in the refinement	0.1805
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202589 (current)	2017-11-04	cif/ Adding structures of 7044646, 7044647, 7044648 via cif-deposit CGI script.	7044647.cif