Crystallography Open Database

Information card for entry 4506521

Preview

Coordinates	4506521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H33 Cl2 Cu N12 O8
Calculated formula	C36 H33 Cl2 Cu N12 O8
Title of publication	CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation
Authors of publication	Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	8
Pages of publication	4135
a	22.6201 ± 0.0014 Å
b	9.1958 ± 0.0006 Å
c	21.2862 ± 0.0014 Å
α	90°
β	118.149 ± 0.001°
γ	90°
Cell volume	3904 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0647
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1657
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179601 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/65.	4506521.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506521.cif
66206	2012-09-09	cif/ Adding structures of 4506521 via cif-deposit CGI script.	4506521.cif