Crystallography Open Database

Information card for entry 4333862

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Coordinates	4333862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H80 N12 O8 Pd2
Calculated formula	C84 H80 N12 O8 Pd2
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	12.9154 ± 0.0003 Å
b	32.9705 ± 0.0006 Å
c	9.9792 ± 0.0002 Å
α	90°
β	105.367 ± 0.002°
γ	90°
Cell volume	4097.49 ± 0.15 Å³
Cell temperature	87 ± 2 K
Ambient diffraction temperature	87 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1397
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.272
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4333862.cif
99670	2014-02-03	cif/ Adding structures of 4333862 via cif-deposit CGI script.	4333862.cif