Crystallography Open Database

Information card for entry 4511360

Preview

Coordinates	4511360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H54 N8 O39 Zr2
Calculated formula	C40 H54 N8 O39 Zr2
Title of publication	Charge-Assisted Hydrogen-Bonded Assemblage of an Anionic {M(C2O4)4}4-Building Unit and Organic Cations: A Versatile Approach to Hybrid Supramolecular Architectures
Authors of publication	Imaz, Inhar; Thillet, Anthony; Sutter, Jean-Pascal
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	9
Pages of publication	1753
a	7.729 ± 0.001 Å
b	11.696 ± 0.001 Å
c	16.978 ± 0.001 Å
α	74.42 ± 0.09°
β	83.32 ± 0.01°
γ	72.45 ± 0.07°
Cell volume	1408.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.131
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1503
Weighted residual factors for all reflections included in the refinement	0.1881
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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
179660 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/13.	4511360.cif
116945	2014-06-14	cif/ Adding structures of 4511356, 4511357, 4511358, 4511359, 4511360, 4511361, 4511362, 4511363 via cif-deposit CGI script.	4511360.cif