Crystallography Open Database

Information card for entry 7232901

Preview

Coordinates	7232901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H64 Cu2 F6 N8 O6 P4 S2
Calculated formula	C88 H64 Cu2 F6 N8 O6 P4 S2
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	13.5532 ± 0.0012 Å
b	13.5532 ± 0.0012 Å
c	46.356 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8515.1 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.1969
Residual factor for significantly intense reflections	0.0904
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.1731
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	7232901.cif
215943	2019-06-14	cif/ Adding structures of 7232899, 7232900, 7232901, 7232902, 7232903, 7232904, 7232905, 7232906, 7232907, 7232908 via cif-deposit CGI script.	7232901.cif