Crystallography Open Database

Information card for entry 7044648

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Structure parameters

Formula	C61.5 H58 Cl7 Fe O Os P3
Calculated formula	C61.5 H58 Cl7 Fe O Os P3
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	12.8226 ± 0.0008 Å
b	21.1839 ± 0.0014 Å
c	22.4869 ± 0.0015 Å
α	90°
β	103.809 ± 0.001°
γ	90°
Cell volume	5931.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7044648.cif
202589	2017-11-04	cif/ Adding structures of 7044646, 7044647, 7044648 via cif-deposit CGI script.	7044648.cif