Crystallography Open Database

Information card for entry 4082382

Preview

Coordinates	4082382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H46 B Cl P Pt0.5
Calculated formula	C52 H46 B Cl P Pt0.5
Title of publication	A Dual-Emissive Phosphine‒Borane Lewis Pair with a U-Shaped Linker: Impact of Methylation and Complexation on Fluoride Binding Affinity
Authors of publication	Li, Yufei; Kang, Youngjin; Lu, Jia-Sheng; Wyman, Ian; Ko, Soo-Byung; Wang, Suning
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	4
Pages of publication	964
a	8.588 ± 0.0014 Å
b	12.0714 ± 0.0019 Å
c	20.917 ± 0.003 Å
α	75.467 ± 0.002°
β	83.659 ± 0.002°
γ	84.927 ± 0.002°
Cell volume	2082.1 ± 0.6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1814
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4082382.cif
104391	2014-03-11	cif/ Adding structures of 4082380, 4082381, 4082382 via cif-deposit CGI script.	4082382.cif