Crystallography Open Database

Information card for entry 7712307

Preview

Coordinates	7712307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.5 H53 B11 N3 O0.5 Pt
Calculated formula	C43.5 H53 B11 N3 O0.5 Pt
SMILES	[Pt]12(c3ccccc3c3[n]1cc(cc3)[C]1345[BH]678[BH]9%101[BH]1%113[BH]3%124[BH]456[BH]56%12[BH]%12%113[BH]3%101[BH]179[BH]845[BH]6%1231)[n]1ccc(cc1c1[n]2ccc(c1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C.O=C(C)C
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	14.7529 ± 0.0007 Å
b	34.2378 ± 0.0015 Å
c	40.5905 ± 0.0019 Å
α	90°
β	100.113 ± 0.003°
γ	90°
Cell volume	20184 ± 1.6 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2179
Residual factor for significantly intense reflections	0.116
Weighted residual factors for significantly intense reflections	0.2835
Weighted residual factors for all reflections included in the refinement	0.3436
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
294865 (current)	2024-09-24	cif/7: Fixing Z values and formulae	7712307.cif
280996	2023-02-20	cif/ Adding structures of 7712305, 7712306, 7712307 via cif-deposit CGI script.	7712307.cif