Crystallography Open Database

Information card for entry 4073695

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Coordinates	4073695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 Br2 N4 Pt
Calculated formula	C26 H36 Br2 N4 Pt
SMILES	c12ccccc2N(C(N1C(C)C)=[Pt](=C1N(c2ccccc2N1C(C)C)C(C)C)(Br)Br)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	17.2381 ± 0.0009 Å
b	9.518 ± 0.0005 Å
c	17.8717 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2932.2 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
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	0.0538
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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