Crystallography Open Database

Information card for entry 4333279

Preview

Coordinates	4333279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H55 Co N9 O7
Calculated formula	C56.94 H36.98 Co N8.98 O6.98
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	13.8982 ± 0.0011 Å
b	14.1768 ± 0.0011 Å
c	15.0948 ± 0.0011 Å
α	94.089 ± 0.002°
β	101.607 ± 0.002°
γ	112.116 ± 0.002°
Cell volume	2663.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1824
Weighted residual factors for all reflections included in the refinement	0.1967
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.7848 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179435 (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 4/33/32.	4333279.cif
98900	2014-01-30	cif/ Adding structures of 4333279 via cif-deposit CGI script.	4333279.cif