Crystallography Open Database

Information card for entry 4337420

Preview

Coordinates	4337420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164.5 H194 Mo4 N4 O33.5 P2
Calculated formula	C164.72 H184.41 Mo4 N4 O33.77 P2
Title of publication	Synthesis, Structure and Cation-Binding Properties of Some [4 + 4] Metallocyclic MO2(2+) (M = Mo or W) Derivatives of 9-Phenyl-2,3,7-trihydroxyfluor-6-one.
Authors of publication	McCormick, Laura J.; Abrahams, Brendan F.; Boughton, Berin A.; Grannas, Martin J.; Hudson, Timothy A.; Robson, Richard
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1721 - 1728
a	18.958 ± 0.0003 Å
b	21.1324 ± 0.0006 Å
c	22.6782 ± 0.0004 Å
α	75.049 ± 0.002°
β	82.216 ± 0.002°
γ	63.834 ± 0.002°
Cell volume	7875.9 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0864
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4337420.cif
106357	2014-03-15	cif/ Adding structures of 4337414, 4337415, 4337416, 4337417, 4337418, 4337419, 4337420, 4337421, 4337422 via cif-deposit CGI script.	4337420.cif