Crystallography Open Database

Information card for entry 7117571

Preview

Coordinates	7117571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cl2 N4 Zn
Calculated formula	C30 H28 Cl2 N4 Zn
Title of publication	Multiple single-crystal-to-single-crystal guest exchange in a dynamic 1D coordination polymer.
Authors of publication	Martí-Rujas, Javier; Bonafede, Simone; Tushi, Dorearta; Cametti, Massimo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	62
Pages of publication	12357 - 12360
a	14.7556 ± 0.001 Å
b	22.5021 ± 0.0014 Å
c	10.5208 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3493.2 ± 0.4 Å³
Cell temperature	399 ± 2 K
Ambient diffraction temperature	399 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1278
Residual factor for significantly intense reflections	0.102
Weighted residual factors for significantly intense reflections	0.3057
Weighted residual factors for all reflections included in the refinement	0.3315
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7117571.cif
152971	2015-08-06	cif/ Adding structures of 7117571, 7117572, 7117573, 7117574, 7117575 via cif-deposit CGI script.	7117571.cif