Crystallography Open Database

Information card for entry 4339939

Preview

Coordinates	4339939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H45 Co N6 O5.25
Calculated formula	C53 H45 Co N6 O5.25
Title of publication	Preparation and structure of three solvatomorphs of the polymer [Co(dbm)2(4ptz)]n: spin canting depending on the supramolecular organization.
Authors of publication	Barrios, Leoní A; Ribas, Joan; Aromí, Guillem; Ribas-Ariño, Jordi; Gamez, Patrick; Roubeau, Olivier; Teat, Simon J.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	7154 - 7162
a	10.5892 ± 0.0008 Å
b	26.548 ± 0.002 Å
c	17.1856 ± 0.0014 Å
α	90°
β	104.898 ± 0.002°
γ	90°
Cell volume	4668.8 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1531
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.8457 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179502 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99.	4339939.cif
117628	2014-06-15	cif/ Adding structures of 4339939 via cif-deposit CGI script.	4339939.cif