Crystallography Open Database

Information card for entry 7056850

Preview

Coordinates	7056850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H71 N16 O25 Zn3
Calculated formula	C60 H69 N16 O25 Zn3
Title of publication	Enhanced activity of trinuclear Zn(ii) complexes towards phosphate ester bond cleavage by introducing three-metal cooperativity
Authors of publication	Joshi, Pooja; Hussain, Navid; Ali, Shah Raj; Rishu, Rishu; Bhardwaj, Vimal K.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	3
Pages of publication	2204
a	24.6376 ± 0.0011 Å
b	13.3432 ± 0.0005 Å
c	22.2182 ± 0.0009 Å
α	90°
β	116.285 ± 0.003°
γ	90°
Cell volume	6548.9 ± 0.5 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
230562 (current)	2019-11-17	cif/ Updating files of 7056849, 7056850, 7056851 Original log message: Adding full bibliography for 7056849--7056851.cif.	7056850.cif
204563	2017-12-28	cif/ Adding structures of 7056849, 7056850, 7056851 via cif-deposit CGI script.	7056850.cif