Crystallography Open Database

Information card for entry 1514303

Preview

Coordinates	1514303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H37 Cl2 N15 O6 Re2
Calculated formula	C62 H37 Cl2 N15 O6 Re2
Title of publication	‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages
Authors of publication	Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	5
Pages of publication	1833
a	40 ± 0.02 Å
b	7.73 ± 0.003 Å
c	19.823 ± 0.01 Å
α	90°
β	97.713 ± 0.014°
γ	90°
Cell volume	6074 ± 5 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1535
Weighted residual factors for all reflections included in the refinement	0.1846
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
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.	1514303.cif
109272	2014-04-10	cif/ Adding structures of 1514301, 1514302, 1514303, 1514304, 1514305 via cif-deposit CGI script.	1514303.cif