Crystallography Open Database

Information card for entry 4309861

Preview

Coordinates	4309861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C250 H164 N26 O0.66 P2 Zn5
Calculated formula	C250 H164 N26 O0.66 P2 Zn5
Title of publication	Template-Assisted Ligand Encapsulation; the Impact of an Unusual Coordination Geometry on a Supramolecular Pyridylphosphine-Zn(II)porphyrin Assembly
Authors of publication	Arjan W. Kleij; Mark Kuil; Duncan M. Tooke; Anthony L. Spek; Joost N. H. Reek
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7696 - 7698
a	11.5527 ± 0.0011 Å
b	19.064 ± 0.0013 Å
c	27.5589 ± 0.0011 Å
α	75.844 ± 0.005°
β	82.549 ± 0.008°
γ	82.366 ± 0.007°
Cell volume	5803.2 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0576
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179136 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/98.	4309861.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309861.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309861.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309861.cif