Crystallography Open Database

Information card for entry 7706703

Preview

Coordinates	7706703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71.25 H59.5 Cl2.5 Cu4 F6 N6 P5 S2
Calculated formula	C71.25 H59.5 Cl2.5 Cu4 F6 N6 P5 S2
Title of publication	Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.
Authors of publication	Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	11
Pages of publication	4028 - 4035
a	13.1571 ± 0.0002 Å
b	16.5948 ± 0.0002 Å
c	34.5954 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7553.54 ± 0.17 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
263766 (current)	2021-04-05	cif/ Updating files of 7706697, 7706698, 7706699, 7706700, 7706701, 7706702, 7706703, 7706704, 7706705, 7706706, 7706707 Original log message: Adding full bibliography for 7706697--7706707.cif.	7706703.cif
262318	2021-02-28	cif/ Adding structures of 7706697, 7706698, 7706699, 7706700, 7706701, 7706702, 7706703, 7706704, 7706705, 7706706, 7706707 via cif-deposit CGI script.	7706703.cif