Crystallography Open Database

Information card for entry 7016865

Preview

Coordinates	7016865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H70 N4 O10 P2 Zn2
Calculated formula	C66 H70 N4 O10 P2 Zn2
Title of publication	Zn(ii) Robson macrocycles as templates for chelating diphosphines.
Authors of publication	Ponsico, Sergio; Gulyas, Henrik; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	40
Pages of publication	10686 - 10697
a	18.8474 ± 0.0012 Å
b	7.85 ± 0.0005 Å
c	20.6464 ± 0.0013 Å
α	90°
β	98.266 ± 0.003°
γ	90°
Cell volume	3022.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1687
Weighted residual factors for all reflections included in the refinement	0.1767
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179872 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/68.	7016865.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016865.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016865.cif
28097	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7016865, 7016866, 7016867, 7016868 via cif-deposit CGI script.	7016865.cif