Crystallography Open Database

Information card for entry 4073697

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Coordinates	4073697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H33 Br2 N2 P Pt
Calculated formula	C31 H33 Br2 N2 P Pt
SMILES	[Pt](Br)(Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(c2ccccc2N1C(C)C)C(C)C
Title of publication	Mono- vs Bis(carbene) Complexes: A Detailed Study on Platinum(II)−Benzimidazolin-2-ylidenes
Authors of publication	Han, Yuan; Huynh, Han Vinh; Tan, Geok Kheng
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	18
Pages of publication	4612
a	10.5275 ± 0.0005 Å
b	17.5069 ± 0.0008 Å
c	16.5319 ± 0.0007 Å
α	90°
β	94.769 ± 0.001°
γ	90°
Cell volume	3036.3 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
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	0.0412
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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