Crystallography Open Database

Information card for entry 4116216

Preview

Coordinates	4116216.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	8*5.25 MeOH
Formula	C85.25 H84 Co2 N4 O10.25 Zn
Calculated formula	C85.25 H78 Co2 N4 O10.25 Zn
Title of publication	Porphodimethene-Porphyrin Interconversion: A Tetrapyrrolic Redox-Switchable Macrocycle
Authors of publication	Michael Harmjanz; Hubert S. Gill; Michael J. Scott
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	10476 - 10477
a	29.448 ± 0.003 Å
b	12.588 ± 0.0012 Å
c	21.842 ± 0.002 Å
α	90°
β	107.913 ± 0.002°
γ	90°
Cell volume	7704.2 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.1352
Residual factor for significantly intense reflections	0.0867
Weighted residual factors for significantly intense reflections	0.1955
Weighted residual factors for all reflections included in the refinement	0.226
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
178933 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/62.	4116216.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116216.cif
70797	2013-01-05	cif/ Adding structures of 4116216 via cif-deposit CGI script.	4116216.cif