Crystallography Open Database

Information card for entry 7711614

Preview

Coordinates	7711614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.13 H37.51 Cr F6 N10 O1.63 P
Calculated formula	C40.5 H35 Cr F6 N10 O P
Title of publication	The energy gap law for NIR-phosphorescent Cr(III) complexes.
Authors of publication	Cheng, Yang; Yang, Qingqing; He, Jiang; Zou, Wenjie; Liao, Keyu; Chang, Xiaoyong; Zou, Chao; Lu, Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	9
Pages of publication	2561 - 2565
a	19.9874 ± 0.0013 Å
b	18.8599 ± 0.0012 Å
c	21.5414 ± 0.0014 Å
α	90°
β	102.64 ± 0.002°
γ	90°
Cell volume	7923.5 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.1077
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283327 (current)	2023-05-05	cif/ Updating files of 7711611, 7711612, 7711613, 7711614, 7711615 Original log message: Adding full bibliography for 7711611--7711615.cif.	7711614.cif
278869	2022-10-29	cif/ Adding structures of 7711611, 7711612, 7711613, 7711614, 7711615 via cif-deposit CGI script.	7711614.cif