Crystallography Open Database

Information card for entry 7217040

Preview

Coordinates	7217040.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu2(Hser-5Cl-sal)2(H2O)].CH3OH
Formula	C21 H26 Cl2 Cu2 N2 O10
Calculated formula	C21 H26 Cl2 Cu2 N2 O10
SMILES	[Cu]123[O]4[Cu]5([NH]([C@H](C(=O)O5)CO)Cc5c4ccc(Cl)c5)([O]3c3c(C[NH]1[C@H](C(=O)O2)CO)cc(Cl)cc3)[OH2].OC
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	7.4137 ± 0.0004 Å
b	13.3645 ± 0.0007 Å
c	13.4407 ± 0.0007 Å
α	90°
β	103.816 ± 0.002°
γ	90°
Cell volume	1293.18 ± 0.12 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0213
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0408
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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.	7217040.cif
119364	2014-07-06	cif/ Adding structures of 7217039, 7217040, 7217041, 7217042, 7217043 via cif-deposit CGI script.	7217040.cif