Crystallography Open Database

Information card for entry 4328801

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Coordinates	4328801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 I1.5 N2 P3 Pt1.5
Calculated formula	C38 H32 I1.5 N2 P3 Pt1.5
Title of publication	N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls
Authors of publication	Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4170 - 4179
a	18.6542 ± 0.0008 Å
b	19.9824 ± 0.0008 Å
c	22.1057 ± 0.001 Å
α	90°
β	95.387 ± 0.002°
γ	90°
Cell volume	8203.6 ± 0.6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for all reflections	0.0831
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.0181
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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