Crystallography Open Database

Information card for entry 7232899

Preview

Coordinates	7232899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 Cu F3 N4 O4 P2 S
Calculated formula	C52 H42 Cu F3 N4 O4 P2 S
Title of publication	New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes
Authors of publication	Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	29
Pages of publication	4275
a	12.2512 ± 0.001 Å
b	18.0542 ± 0.0015 Å
c	20.8644 ± 0.0015 Å
α	90°
β	96.61 ± 0.007°
γ	90°
Cell volume	4584.2 ± 0.6 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.1711
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
223466 (current)	2019-11-07	cif/ Updating files of 7232899, 7232900, 7232901, 7232902, 7232903, 7232904, 7232905, 7232906, 7232907, 7232908 Original log message: Adding full bibliography for 7232899--7232908.cif.	7232899.cif
215943	2019-06-14	cif/ Adding structures of 7232899, 7232900, 7232901, 7232902, 7232903, 7232904, 7232905, 7232906, 7232907, 7232908 via cif-deposit CGI script.	7232899.cif