Crystallography Open Database

Information card for entry 8104774

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Coordinates	8104774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 Fe2 O6 P S2
Calculated formula	C26 H21 Fe2 O6 P S2
Title of publication	The crystal structure of pentakis(carbonyl)-{μ-[2,3-bis(sulfanyl)propan-1-olato]}-(triphenylphosphane)diiron (Fe–Fe)C26H21Fe2O6PS2
Authors of publication	Gao, Wei; Bai, Yan-Jie; Mao, Jia-Le; Guo, Xue-Quan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	3
Pages of publication	587 - 589
a	9.0892 ± 0.0006 Å
b	27.6631 ± 0.0018 Å
c	11.3409 ± 0.0008 Å
α	90°
β	106.409 ± 0.002°
γ	90°
Cell volume	2735.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1081
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.162
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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