Crystallography Open Database

Information card for entry 7210962

Preview

Coordinates	7210962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 Cu2 Mn2 N6 O21
Calculated formula	C44 H44 Cu2 Mn2 N6 O21
Title of publication	Self-assembly of a chiral three-dimensional manganese(ii)‒copper(ii) coordination polymer with a double helical architecture
Authors of publication	Grancha, Thais; Tourbillon, Clarisse; Ferrando-Soria, Jesús; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9312
a	20.467 ± 0.003 Å
b	20.467 ± 0.003 Å
c	34.344 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	14387 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.2218
Weighted residual factors for all reflections included in the refinement	0.2274
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7379 Å
Diffraction radiation type	monocromaticsynchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180440 (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 7/21/09.	7210962.cif
90163	2013-11-17	cif/ Adding structures of 7210962 via cif-deposit CGI script.	7210962.cif