Crystallography Open Database

Information card for entry 4073698

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Coordinates	4073698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H31 Br2 N3 O Pt
Calculated formula	C22 H31 Br2 N3 O Pt
SMILES	[Pt](Br)(Br)([n]1ccccc1)=C1N(c2ccccc2N1C(C)C)C(C)C.O1CCCC1
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	17.1196 ± 0.0007 Å
b	9.7318 ± 0.0004 Å
c	29.7136 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4950.4 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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