Crystallography Open Database

Information card for entry 4339555

Preview

Coordinates	4339555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H69 In N4 O16.5 P
Calculated formula	C45 H67 In N4 O16.5 P
Title of publication	Synthesis and structural characterization of complexes of a DO3A-conjugated triphenylphosphonium cation with diagnostically important metal ions.
Authors of publication	Yang, Chang-Tong; Li, Yongxin; Liu, Shuang
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8988 - 8997
a	10.7779 ± 0.0009 Å
b	16.304 ± 0.0017 Å
c	16.452 ± 0.0018 Å
α	103.482 ± 0.006°
β	106.939 ± 0.005°
γ	104.783 ± 0.006°
Cell volume	2521.9 ± 0.5 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	0.0844
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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.	4339555.cif
117386	2014-06-14	cif/ Adding structures of 4339555 via cif-deposit CGI script.	4339555.cif