Crystallography Open Database

Information card for entry 7048333

Preview

Coordinates	7048333.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	((4-(1'H-[1, 3?-bipyrazol]-1'-yl)phenyl) (4-(10H-phenoxazin-10-yl)phenyl)methanone)((oxybis(2,1-phenylene))bis(diphenylphosphane)) copper(I) tetra-fluoroborate
Formula	C67 H49 B Cu F4 N5 O3 P2
Calculated formula	C67 H49 B Cu F4 N5 O3 P2
Title of publication	A rationally designed vapoluminescent compound with adsorptive channels and responsive luminophores for volatile organic compounds (VOCs).
Authors of publication	Yang, Mingxue; Li, Xiao-Ning; Jia, Ji-Hui; Chen, Xu-Lin; Lu, Can-Zhong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	4
Pages of publication	1179 - 1183
a	14.8651 ± 0.0007 Å
b	15.2844 ± 0.0006 Å
c	16.91 ± 0.0005 Å
α	96.249 ± 0.003°
β	107.674 ± 0.003°
γ	114.228 ± 0.004°
Cell volume	3215.5 ± 0.3 Å³
Cell temperature	100 ± 0.16 K
Ambient diffraction temperature	100 ± 0.16 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
224076 (current)	2019-11-07	cif/ Updating files of 7048330, 7048331, 7048332, 7048333 Original log message: Adding full bibliography for 7048330--7048333.cif.	7048333.cif
212512	2018-12-11	cif/ Adding structures of 7048330, 7048331, 7048332, 7048333 via cif-deposit CGI script.	7048333.cif