Crystallography Open Database

Information card for entry 7113870

Preview

Coordinates	7113870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H86 Co3 N24 O5 S6
Calculated formula	C83 H58 Co3 N24 O5 S6
Title of publication	Coordination polymers based on square planar Co(II) node and linear spacer: solvent-dependent pseudo-polymorphism and an unprecedented interpenetrating structure containing both 2D and 3D topological isomers
Authors of publication	Mok Shin, Dong; Su Lee, In; Keun Chung, Young; Soo Lah, Myoung
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	9
Pages of publication	1036 - 1037
a	19.965 ± 0.001 Å
b	18.731 ± 0.001 Å
c	27.203 ± 0.001 Å
α	90°
β	110.19 ± 0.001°
γ	90°
Cell volume	9547.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1864
Residual factor for significantly intense reflections	0.1088
Weighted residual factors for significantly intense reflections	0.3022
Weighted residual factors for all reflections included in the refinement	0.3336
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104082
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210531 (current)	2018-09-07	cif/7/ Updating bibliography in entries 7104081-7104082, 7113869-7113870. Marking entries 7113869-7113870 as duplicates of entries 7104081-7104082.	7113870.cif
180252	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38.	7113870.cif
115319	2014-06-03	cif/ Adding structures of 7113869, 7113870 via cif-deposit CGI script.	7113870.cif