Crystallography Open Database

Information card for entry 7110365

Preview

Coordinates	7110365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 Br4 Cl6 Hg2 N8
Calculated formula	C42 H28 Br4 Cl6 Hg2 N8
Title of publication	Self-assembly of free-base tetrapyridylporphyrin units by metal ion coordination
Authors of publication	Pan, Long; Wang, Xiaotai; Noll, Bruce C.
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	2
Pages of publication	157
a	9.507 ± 0.003 Å
b	11.641 ± 0.002 Å
c	12.732 ± 0.004 Å
α	73.418 ± 0.009°
β	80.316 ± 0.016°
γ	66.294 ± 0.007°
Cell volume	1234.2 ± 0.6 Å³
Cell temperature	171 ± 2 K
Ambient diffraction temperature	171 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.102
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180217 (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 7/11/03.	7110365.cif
95011	2014-01-28	cif/ Adding structures of 7110365 via cif-deposit CGI script.	7110365.cif