Crystallography Open Database

Information card for entry 7700437

Preview

Coordinates	7700437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H47 Br Cl6 Cu P3 S
Calculated formula	C51 H47 Br Cl6 Cu P3 S
Title of publication	From deep blue to green emitting and ultralong fluorescent copper(i) halide complexes containing dimethylthiophene diphosphine and PPh<sub>3</sub> ligands.
Authors of publication	Wei, Qiong; Zhang, Rui; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Guang-Hua; Li, Fa-Bao; Alamry, Khalid A.; Zhao, Yi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	30
Pages of publication	11448 - 11459
a	13.507 ± 0.003 Å
b	13.606 ± 0.003 Å
c	14.263 ± 0.003 Å
α	85.71 ± 0.03°
β	82.74 ± 0.03°
γ	89.27 ± 0.03°
Cell volume	2592.9 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.1725
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
224352 (current)	2019-11-08	cif/ Updating files of 7700437, 7700438, 7700439 Original log message: Adding full bibliography for 7700437--7700439.cif.	7700437.cif
216762	2019-07-05	cif/ Adding structures of 7700437, 7700438, 7700439 via cif-deposit CGI script.	7700437.cif