Crystallography Open Database

Information card for entry 4001525

Preview

Coordinates	4001525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H15.2 Fe0.2 Ga1.8 N3 O9 P2
Calculated formula	C4 H12 Fe0.2 Ga1.8 N3 O9 P2
Title of publication	Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence
Authors of publication	Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	8
Pages of publication	2095
a	23.6965 ± 0.0013 Å
b	23.6965 ± 0.0013 Å
c	13.5437 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	6586.2 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1072
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	0.897
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.	4001525.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001525.cif
47594	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001525 via cif-deposit CGI script.	4001525.cif