Crystallography Open Database

Information card for entry 7703054

Preview

Coordinates	7703054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H32 Br Cu N6 O6
Calculated formula	C50 H32 Br Cu N6 O6
Title of publication	Substituent group-tunable hydrogen evolution activity observed in isostructural Cu(ii)-based coordination polymer photocatalysts.
Authors of publication	Dai, Xue-Jiao; Wang, Jia-Jun; Li, Lei; Ding, Bo; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	5
Pages of publication	1674 - 1680
a	7.2467 ± 0.0013 Å
b	10.935 ± 0.002 Å
c	13.919 ± 0.003 Å
α	82.29 ± 0.004°
β	87.182 ± 0.004°
γ	72.275 ± 0.004°
Cell volume	1041.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1339
Residual factor for significantly intense reflections	0.0911
Weighted residual factors for significantly intense reflections	0.2312
Weighted residual factors for all reflections included in the refinement	0.2565
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
248944 (current)	2020-03-05	cif/ Updating files of 7703052, 7703053, 7703054 Original log message: Adding full bibliography for 7703052--7703054.cif.	7703054.cif
246216	2019-12-27	cif/ Adding structures of 7703052, 7703053, 7703054 via cif-deposit CGI script.	7703054.cif