Crystallography Open Database

Information card for entry 4321865

Preview

Coordinates	4321865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80.5 H96.5 Cl7.5 O10 P2
Calculated formula	C80.5 H96.5 Cl7.5 O10 P2
Title of publication	Calix[4]arene Ligands with Phosphorus-Containing Groups Tethered at the Upper Rim
Authors of publication	Izilda A. Bagatin; Dominique Matt; Holger Thönnessen; Peter G. Jones
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	1585 - 1591
a	16.313 ± 0.005 Å
b	16.553 ± 0.005 Å
c	17.068 ± 0.006 Å
α	108.04 ± 0.02°
β	93.13 ± 0.02°
γ	100.268 ± 0.018°
Cell volume	4282 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1428
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2123
Weighted residual factors for all reflections included in the refinement	0.2464
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4321865.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321865.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321865.cif
19707	2011-05-25	../uploads/cif-deposit/cod/cif Adding structures of 4321865 via cif-deposit CGI script.	4321865.cif