Crystallography Open Database

Information card for entry 1518254

Preview

Coordinates	1518254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6
Calculated formula	C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6
Title of publication	Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups
Authors of publication	Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	1004
a	77.1812 ± 0.0001 Å
b	77.1812 ± 0.0001 Å
c	77.1812 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	459764 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	209
Hermann-Mauguin space group symbol	F 4 3 2
Hall space group symbol	F 4 2 3
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.2584
Weighted residual factors for all reflections included in the refinement	0.2646
Goodness-of-fit parameter for all reflections included in the refinement	1.3
Diffraction radiation wavelength	0.715 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1518254.cif
130956	2015-02-04	cif/ Updating files of 1518252, 1518253, 1518254, 1518255, 1518256, 1518257 Original log message: Adding full bibliography for 1518252--1518257.cif.	1518254.cif
127039	2014-11-12	cif/ Adding structures of 1518252, 1518253, 1518254, 1518255, 1518256, 1518257 via cif-deposit CGI script.	1518254.cif