Crystallography Open Database

Information card for entry 4328798

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Coordinates	4328798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44 Br N2 P3 Pt
Calculated formula	C50 H44 Br N2 P3 Pt
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	11.8663 ± 0.0013 Å
b	10.6254 ± 0.0011 Å
c	16.7653 ± 0.0019 Å
α	90°
β	104.561 ± 0.005°
γ	90°
Cell volume	2045.9 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0166
Residual factor for significantly intense reflections	0.0157
Weighted residual factors for all reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0391
Weighted residual factors for all reflections included in the refinement	0.0396
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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