Crystallography Open Database

Information card for entry 7216067

Preview

Coordinates	7216067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H29 Cl7 N8 O0.67 Zn
Calculated formula	C41.3333 H25.3333 Cl4 N8 Zn
Title of publication	A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin)
Authors of publication	Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	103
Pages of publication	621
a	13.4415 ± 0.0011 Å
b	14.8653 ± 0.0012 Å
c	18.7182 ± 0.0016 Å
α	72.018 ± 0.001°
β	71.597 ± 0.001°
γ	69.434 ± 0.001°
Cell volume	3239.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0825
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
180491 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/60.	7216067.cif
114331	2014-05-23	cif/ Adding structures of 7216067, 7216068 via cif-deposit CGI script.	7216067.cif