Crystallography Open Database

Information card for entry 7712306

Preview

Coordinates	7712306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H51 B11 N3 O1.5 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(c3c2cccc3)ccc([C]2345[BH]678[BH]9%102[BH]2%114[BH]4%123[BH]357[BH]576[BH]6%13%14[BH]895[BH]%102%13[BH]%11%12%14[BH]4376)c1
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	7.422 ± 0.0001 Å
b	16.9072 ± 0.0001 Å
c	31.1951 ± 0.0002 Å
α	90°
β	92.689 ± 0.001°
γ	90°
Cell volume	3910.21 ± 0.06 Å³
Cell temperature	295.58 ± 0.1 K
Ambient diffraction temperature	295.58 ± 0.1 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	0.0283
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7712306.cif