Crystallography Open Database

Information card for entry 7057207

Preview

Coordinates	7057207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H21 Cl N3 O5 P
Calculated formula	C13 H21 Cl N3 O5 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	8.607 ± 0.0002 Å
b	25.0089 ± 0.0005 Å
c	7.619 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1640 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7057207.cif
207123	2018-03-27	cif/ Adding structures of 7057202, 7057203, 7057204, 7057205, 7057206, 7057207, 7057208, 7057209, 7057210, 7057211 via cif-deposit CGI script.	7057207.cif