Crystallography Open Database

Information card for entry 7057204

Preview

Coordinates	7057204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H42 N8 Ni2 O5 P2 S2
Calculated formula	C30 H34 N8 Ni2 O4 P2 S2
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	12.4639 ± 0.0004 Å
b	10.6323 ± 0.0004 Å
c	15.2654 ± 0.0005 Å
α	90°
β	102.271 ± 0.001°
γ	90°
Cell volume	1976.75 ± 0.12 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7057204.cif
207123	2018-03-27	cif/ Adding structures of 7057202, 7057203, 7057204, 7057205, 7057206, 7057207, 7057208, 7057209, 7057210, 7057211 via cif-deposit CGI script.	7057204.cif