Crystallography Open Database

Information card for entry 7113221

Preview

Coordinates	7113221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H46 Co N9 O
Calculated formula	C56 H46 Co N9 O
Title of publication	Co(II) and Co(III) complexes of m-benziphthalocyanine
Authors of publication	Çetin, Anıl; Sripothongnak, Saovalak; Kawa, Michael; Durfee, William S.; Ziegler, Christopher J.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2007
Journal issue	41
Pages of publication	4289 - 4290
a	12.5789 ± 0.0011 Å
b	13.309 ± 0.0012 Å
c	15.3136 ± 0.0013 Å
α	75.725 ± 0.001°
β	76.522 ± 0.001°
γ	69.353 ± 0.001°
Cell volume	2294.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1158
Residual factor for significantly intense reflections	0.0946
Weighted residual factors for significantly intense reflections	0.2567
Weighted residual factors for all reflections included in the refinement	0.2722
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7102207
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209778 (current)	2018-08-16	cif/7/ Updating bibliography in entries 7102205-7102207, 7113219-7113221. Marking entries 7113219-7113221 as duplicates of entries 7102205-7102207.	7113221.cif
180246	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 7/11/32.	7113221.cif
113390	2014-05-12	cif/ Adding structures of 7113219, 7113220, 7113221 via cif-deposit CGI script.	7113221.cif