Crystallography Open Database

Information card for entry 7207855

7207854 << 7207855 >> 7207856

Preview

Coordinates	7207855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87.5 H101.5 I8 N10.5 O22.5 Zn4
Calculated formula	C87.5 H101.5 I8 N10.5 O22.5 Zn4
Title of publication	The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers
Authors of publication	Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	10
Pages of publication	3658
a	12.4072 ± 0.0008 Å
b	12.4082 ± 0.0007 Å
c	33.608 ± 0.002 Å
α	87.891 ± 0.002°
β	88.473 ± 0.002°
γ	83.785 ± 0.002°
Cell volume	5138.8 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.1137
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.1937
Weighted residual factors for all reflections included in the refinement	0.221
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7207855.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207855.cif
55939	2012-05-08	cif/ Adding structures of 7207850, 7207851, 7207852, 7207853, 7207854, 7207855, 7207856, 7207857, 7207858 via cif-deposit CGI script.	7207855.cif