Crystallography Open Database

Information card for entry 7209047

7209046 << 7209047 >> 7209048

Preview

Coordinates	7209047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C135.5 H157.17 Co N12 O8.75
Calculated formula	C134 H144 Co N12 O10.0833
Title of publication	In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals
Authors of publication	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	8
Pages of publication	1545
a	37.5719 ± 0.0016 Å
b	37.5719 ± 0.0016 Å
c	37.5719 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	53038 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	222
Hermann-Mauguin space group symbol	P n -3 n :2
Hall space group symbol	-P 4a 2bc 3
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.2717
Weighted residual factors for all reflections included in the refinement	0.295
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.6939 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7209047.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7209047.cif
73568	2013-02-20	cif/ Adding structures of 7209036, 7209037, 7209038, 7209039, 7209040, 7209041, 7209042, 7209043, 7209044, 7209045, 7209046, 7209047, 7209048, 7209049, 7209050, 7209051 via cif-deposit CGI script.	7209047.cif