Crystallography Open Database

Information card for entry 4084460

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Structure parameters

Formula	C51 H48 Cl3 O P3 Pt
Calculated formula	C51 H48 Cl3 O P3 Pt
Title of publication	Stereoelectronic and Catalytic Properties of Chiral Cyclometalated Phospha-palladium and -platinum Complexes
Authors of publication	Jia, Yu-Xiang; Li, Bin-Bin; Li, Yongxin; Pullarkat, Sumod A.; Xu, Kai; Hirao, Hajime; Leung, Pak-Hing
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	21
Pages of publication	6053
a	19.9832 ± 0.0012 Å
b	24.0188 ± 0.0017 Å
c	9.3809 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4502.6 ± 0.5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	0.93
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4084460.cif
178733	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/44.	4084460.cif
127205	2014-11-12	cif/ Updating files of 4084460, 4084461, 4084462 Original log message: Adding full bibliography for 4084460--4084462.cif.	4084460.cif
125110	2014-10-08	cif/ Adding structures of 4084460, 4084461, 4084462 via cif-deposit CGI script.	4084460.cif