Crystallography Open Database

Information card for entry 4115976

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Coordinates	4115976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H8 Fe3 N2 O9 P2
Calculated formula	C15 H8 Fe3 N2 O9 P2
Title of publication	Synthesis of the Bifunctional Phosphinidene Cluster, Fe3(CO)9(μ3-PH)2, and a Systematic Study of the Reactivity of the Cluster-Bound P-H Functional Group
Authors of publication	Caryn C. Borg-Breen; Maria T. Bautista; Cynthia K. Schauer; Peter S. White
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	3952 - 3962
a	11.7382 ± 0.0005 Å
b	9.7384 ± 0.0004 Å
c	18.6132 ± 0.0008 Å
α	90°
β	99.906 ± 0.001°
γ	90°
Cell volume	2095.98 ± 0.15 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.027
Residual factor for significantly intense reflections	0.023
Weighted residual factors for all reflections	0.03
Weighted residual factors for significantly intense reflections	0.029
Goodness-of-fit parameter for significantly intense reflections	2.66
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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