Crystallography Open Database

Information card for entry 7035862

Preview

Coordinates	7035862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H84 N6 Ni3 O24
Calculated formula	C74 H84 N6 Ni3 O24
Title of publication	Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies.
Authors of publication	Hawes, Chris S.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Knowles, Gregory P.; Chaffee, Alan L.; Murray, Keith S.; Batten, Stuart R.; Turner, David R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	40
Pages of publication	17494 - 17507
a	11.878 ± 0.002 Å
b	11.944 ± 0.002 Å
c	13.199 ± 0.003 Å
α	76.18 ± 0.03°
β	79.76 ± 0.03°
γ	75.16 ± 0.03°
Cell volume	1744.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.7109 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
161963 (current)	2015-10-09	cif/ Updating files of 7035861, 7035862, 7035863, 7035864, 7035865 Original log message: Adding full bibliography for 7035861--7035865.cif.	7035862.cif
152283	2015-07-18	cif/ Adding structures of 7035861, 7035862, 7035863, 7035864, 7035865 via cif-deposit CGI script.	7035862.cif