Crystallography Open Database

Information card for entry 7110893

Preview

Coordinates	7110893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H104 N4 O34 Zn2
Calculated formula	C50 H32 N4 O10 Zn2
Title of publication	New effective synthons for supramolecular self-assembly of meso-carboxyphenylporphyrins
Authors of publication	Diskin-Posner, Yael; Dahal, Sanjay; Goldberg, Israel
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	7
Pages of publication	585
a	27.694 ± 0.0008 Å
b	19.51 ± 0.0009 Å
c	32.598 ± 0.0013 Å
α	90°
β	92.724 ± 0.003°
γ	90°
Cell volume	17593.1 ± 1.2 Å³
Cell temperature	115 K
Ambient diffraction temperature	115 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1497
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	0.91
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180222 (current)	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 7/11/08.	7110893.cif
96002	2014-01-28	cif/ Adding structures of 7110892, 7110893 via cif-deposit CGI script.	7110893.cif