Crystallography Open Database

Information card for entry 7020806

7020805 << 7020806 >> 7020807

Preview

Coordinates	7020806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 Cl2 Cu4 N4 Na O19
Calculated formula	C27 H29 Cl2 Cu4 N4 Na O19
Title of publication	Tuning the interactions from antiferro- to ferro-magnetic by molecular tailoring and manipulating
Authors of publication	Zhang, Xiaoying; Li, Bo; Tang, Jinkui; Tian, Jumei; Huang, Guolong; Zhang, Jingping
Journal of publication	Dalton Transactions
Year of publication	2013
Journal volume	42
Journal issue	10
Pages of publication	3308
a	11.9996 ± 0.001 Å
b	25.732 ± 0.002 Å
c	23.7294 ± 0.0019 Å
α	90°
β	98.966 ± 0.001°
γ	90°
Cell volume	7237.5 ± 1 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	7
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	0.0974
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.172
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
179913 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08.	7020806.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020806.cif
73674	2013-02-21	cif/ Adding structures of 7020806, 7020807, 7020808, 7020809 via cif-deposit CGI script.	7020806.cif