Crystallography Open Database

Information card for entry 7217039

Preview

Coordinates	7217039.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[Cu2(Hsersal)2(H2O)].H2O}n
Formula	C20 H26 Cu2 N2 O10
Calculated formula	C20 H26 Cu2 N2 O10
Title of publication	Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies
Authors of publication	Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	29
Pages of publication	6730
a	7.408 ± 0.001 Å
b	14.011 ± 0.002 Å
c	21.402 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2221.4 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
180501 (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 7/21/70.	7217039.cif
119364	2014-07-06	cif/ Adding structures of 7217039, 7217040, 7217041, 7217042, 7217043 via cif-deposit CGI script.	7217039.cif