Crystallography Open Database

Information card for entry 7712305

Preview

Coordinates	7712305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H48 B11 N3 O Pt
Calculated formula	C30 H42 B11 N3 Pt
SMILES	[Pt]12([n]3c(c4[n]1ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)[n]1c(c3ccc([C]4567[BH]89%10[BH]%11%124[BH]4%135[BH]5%146[BH]678[BH]789[BH]9%10%11[BH]%10%124[BH]4%135[BH]%1467[BH]89%104)cc23)cccc1
Title of publication	Platinum(II) Diimine Complexes Containing Phenylpyridine Ligands Decorated with Anionic closo-Monocarborane Clusters [CB11H12]-
Authors of publication	Kong, Xiangjun; Shen, Yunjun; Bian, He-Dong; Zhang, Yuzhen
Journal of publication	Dalton Transactions
Year of publication	2023
a	7.8313 ± 0.0002 Å
b	21.0697 ± 0.0007 Å
c	22.2923 ± 0.0007 Å
α	90°
β	96.726 ± 0.002°
γ	90°
Cell volume	3652.98 ± 0.19 Å³
Cell temperature	213.15 K
Ambient diffraction temperature	213.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2313
Weighted residual factors for all reflections included in the refinement	0.2516
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280996 (current)	2023-02-20	cif/ Adding structures of 7712305, 7712306, 7712307 via cif-deposit CGI script.	7712305.cif