Crystallography Open Database

Information card for entry 4338889

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Coordinates	4338889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62.33 H46.33 Cl N8 O Zn
Calculated formula	C62.3333 H46.3333 Cl N8 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	39.6465 ± 0.0013 Å
b	39.6465 ± 0.0013 Å
c	17.0551 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	23216 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.2063
Weighted residual factors for all reflections included in the refinement	0.2149
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
179491 (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 4/33/88.	4338889.cif
116987	2014-06-14	cif/ Adding structures of 4338889 via cif-deposit CGI script.	4338889.cif