Crystallography Open Database

Information card for entry 4333857

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Coordinates	4333857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H65.09 Co1.45 N12
Calculated formula	C76 H64 Co1.458 N12
Title of publication	Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII
Authors of publication	Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1926 - 1941
a	6.842 ± 0.007 Å
b	14.204 ± 0.014 Å
c	14.982 ± 0.015 Å
α	82.306 ± 0.014°
β	85.505 ± 0.015°
γ	87.51 ± 0.016°
Cell volume	1438 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1989
Residual factor for significantly intense reflections	0.1135
Weighted residual factors for significantly intense reflections	0.2729
Weighted residual factors for all reflections included in the refinement	0.3211
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179441 (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 4/33/38.	4333857.cif
99665	2014-02-03	cif/ Adding structures of 4333857 via cif-deposit CGI script.	4333857.cif