Crystallography Open Database

Information card for entry 4073696

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Coordinates	4073696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26 Br2 Cl6 N2 O Pt S
Calculated formula	C17 H26 Br2 Cl6 N2 O Pt S
SMILES	C1(N(c2ccccc2N1C(C)C)C(C)C)=[Pt]([S](C)(=O)C)(Br)Br.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
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	9.547 ± 0.003 Å
b	10.589 ± 0.003 Å
c	14.693 ± 0.004 Å
α	90°
β	104.055 ± 0.006°
γ	90°
Cell volume	1440.9 ± 0.7 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	8
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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