Crystallography Open Database

Information card for entry 4331749

Preview

Coordinates	4331749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H33 Mn3 N3 O16.5 P3
Calculated formula	C9 H33 Mn3 N3 O16.5 P3
Title of publication	Incorporation of Triazacyclononane into the Metal Phosphonate Backbones
Authors of publication	Bao, Song-Song; Chen, Gang-Sheng; Wang, Yin; Li, Yi-Zhi; Zheng, Li-Min; Luo, Qin-Hui
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1124 - 1129
a	9.3049 ± 0.0014 Å
b	9.3049 ± 0.0014 Å
c	47.88 ± 0.011 Å
α	90°
β	90°
γ	120°
Cell volume	3590.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4331749.cif
97858	2014-01-29	cif/ Adding structures of 4331749 via cif-deposit CGI script.	4331749.cif