Crystallography Open Database

Information card for entry 7706705

Preview

Coordinates	7706705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H47 Br7 Cu4 N3 P3
Calculated formula	C52.9999 H46.9996 Br6.9996 Cu4 N3 P3
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	14.9436 ± 0.0008 Å
b	14.9436 ± 0.0008 Å
c	22.1101 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	4275.9 ± 0.4 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203.15 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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
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.	7706705.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.	7706705.cif