Crystallography Open Database

Information card for entry 7212042

7212041 << 7212042 >> 7212043

Preview

Coordinates	7212042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 La N9 O15
Calculated formula	C20 H18 La N9 O15
SMILES	[La]12345([n]6ccc(cc6)c6cc[nH+]cc6)(ON(=[O]4)=O)(ON(=[O]2)=O)(ON(=[O]1)=O)(ON(=[O]3)=O)ON(=[O]5)=O.[nH+]1ccc(cc1)c1ccncc1
Title of publication	Reversible crystal to crystal transformation of a hydrogen-bonded polymer to another in a solid-gas reaction along with morphology change: nano-particles to nano-rods conversion
Authors of publication	Khanjani, Somaye; Morsali, Ali; Retailleau, Pascal
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	7
Pages of publication	2173
a	11.245 ± 0.002 Å
b	18.322 ± 0.003 Å
c	13.475 ± 0.002 Å
α	90°
β	103.161 ± 0.005°
γ	90°
Cell volume	2703.3 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180451 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/20.	7212042.cif
92570	2014-01-12	cif/ Adding structures of 7212041, 7212042 via cif-deposit CGI script.	7212042.cif