Crystallography Open Database

Information card for entry 4338888

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Coordinates	4338888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63.5 H50 N6 O Zn
Calculated formula	C63.5 H50 N6 O Zn
Title of publication	Metalloporphyrin-based inclusion materials: exploiting ligating topologies and hydrogen-bonding backbones in generating new supramolecular architectures.
Authors of publication	Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	18
Pages of publication	7351 - 7361
a	18.5279 ± 0.0011 Å
b	11.8843 ± 0.0007 Å
c	23.8153 ± 0.0015 Å
α	90°
β	109.562 ± 0.001°
γ	90°
Cell volume	4941.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4338888.cif
116986	2014-06-14	cif/ Adding structures of 4338888 via cif-deposit CGI script.	4338888.cif