Crystallography Open Database

Information card for entry 7217042

Preview

Coordinates	7217042.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu2(4,4'-bpy)(Hser-5-OMe-sal)2].CH3OH
Formula	C33 H38 Cu2 N4 O11
Calculated formula	C33 H37 Cu2 N4 O11
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	24.8013 ± 0.0018 Å
b	6.8049 ± 0.0006 Å
c	10.5081 ± 0.0007 Å
α	90°
β	100.988 ± 0.004°
γ	90°
Cell volume	1740.9 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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.	7217042.cif
119364	2014-07-06	cif/ Adding structures of 7217039, 7217040, 7217041, 7217042, 7217043 via cif-deposit CGI script.	7217042.cif