Crystallography Open Database

Information card for entry 1518255

Preview

Coordinates	1518255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C193 H230 B12 Fe6 N59 O53 Pd3
Calculated formula	C193 H230 B12 Fe6 N59 O53 Pd3
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	24.07 ± 0.005 Å
b	25.09 ± 0.005 Å
c	26.26 ± 0.005 Å
α	111.25 ± 0.03°
β	101.84 ± 0.03°
γ	110.6 ± 0.03°
Cell volume	12790 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518255.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.	1518255.cif
127039	2014-11-12	cif/ Adding structures of 1518252, 1518253, 1518254, 1518255, 1518256, 1518257 via cif-deposit CGI script.	1518255.cif