Crystallography Open Database

Information card for entry 7035864

Preview

Coordinates	7035864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H52 N2 O12 S4 Zn2
Calculated formula	C41.9999 H51.9994 N2 O12 S3.9999 Zn2
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	12.437 ± 0.003 Å
b	15.586 ± 0.003 Å
c	30.335 ± 0.006 Å
α	90°
β	90.86 ± 0.03°
γ	90°
Cell volume	5880 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1103
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.2305
Weighted residual factors for all reflections included in the refinement	0.2541
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.7109 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	7035864.cif
152283	2015-07-18	cif/ Adding structures of 7035861, 7035862, 7035863, 7035864, 7035865 via cif-deposit CGI script.	7035864.cif