Crystallography Open Database

Information card for entry 1514305

Preview

Coordinates	1514305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H52.5 B0 Cl F0 Fe2 N13 O2.75 Pd Pt0.5
Calculated formula	C64 H52.25 Cl Fe2 N13 O2.625 Pd Pt0.5
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	14.809 ± 0.003 Å
b	21.668 ± 0.004 Å
c	24.158 ± 0.005 Å
α	105.56 ± 0.03°
β	94.22 ± 0.03°
γ	90.62 ± 0.03°
Cell volume	7444 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1333
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.2786
Weighted residual factors for all reflections included in the refinement	0.305
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.7108 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.	1514305.cif
109272	2014-04-10	cif/ Adding structures of 1514301, 1514302, 1514303, 1514304, 1514305 via cif-deposit CGI script.	1514305.cif