Crystallography Open Database

Information card for entry 7209048

7209047 << 7209048 >> 7209049

Preview

Coordinates	7209048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144.5 H184.25 Cl9.75 Co N12 O15.25
Calculated formula	C138 H144 Co N12 O12
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	37.603 ± 0.003 Å
b	37.603 ± 0.003 Å
c	37.603 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	53170 ± 7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1223
Residual factor for significantly intense reflections	0.1171
Weighted residual factors for significantly intense reflections	0.3932
Weighted residual factors for all reflections included in the refinement	0.4004
Goodness-of-fit parameter for all reflections included in the refinement	1.865
Diffraction radiation wavelength	0.6889 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.	7209048.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7209048.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.	7209048.cif