Crystallography Open Database

Information card for entry 4337342

Preview

Coordinates	4337342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H55 N4 Pt
Calculated formula	C45 H54.999 N4 Pt
Title of publication	Probing the steric and electronic characteristics of a new bis-pyrrolide pincer ligand.
Authors of publication	Komine, Nobuyuki; Buell, René W; Chen, Chun-Hsing; Hui, Alice K.; Pink, Maren; Caulton, Kenneth G.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1361 - 1369
a	16.6811 ± 0.001 Å
b	9.6848 ± 0.0006 Å
c	25.8426 ± 0.0014 Å
α	90°
β	108.415 ± 0.001°
γ	90°
Cell volume	3961.2 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.0324
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for all reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.0453
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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