Crystallography Open Database

Information card for entry 7057205

Preview

Coordinates	7057205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 Cl Cu N3 O3 P
Calculated formula	C13 H15 Cl Cu N3 O3 P
Title of publication	Complexes of phosphonate and phosphinate derivatives of dipicolylamine
Authors of publication	Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	10
Pages of publication	7713
a	9.2402 ± 0.0003 Å
b	13.3847 ± 0.0004 Å
c	12.0873 ± 0.0004 Å
α	90°
β	104.579 ± 0.001°
γ	90°
Cell volume	1446.79 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0295
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
230196 (current)	2019-11-17	cif/ Updating files of 7057202, 7057203, 7057204, 7057205, 7057206, 7057207, 7057208, 7057209, 7057210, 7057211 Original log message: Adding full bibliography for 7057202--7057211.cif.	7057205.cif
207123	2018-03-27	cif/ Adding structures of 7057202, 7057203, 7057204, 7057205, 7057206, 7057207, 7057208, 7057209, 7057210, 7057211 via cif-deposit CGI script.	7057205.cif