Crystallography Open Database

Information card for entry 4342504

Preview

Coordinates	4342504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H191.4 N11 Ni2 O23.2
Calculated formula	C130 H191 N11 Ni2 O23.2
Title of publication	A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.
Authors of publication	Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	6
Pages of publication	2691 - 2704
a	17.1944 ± 0.0008 Å
b	25.4173 ± 0.0011 Å
c	29.515 ± 0.0013 Å
α	90°
β	95.621 ± 0.001°
γ	90°
Cell volume	12837.1 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1147
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.1796
Weighted residual factors for all reflections included in the refinement	0.1998
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4342504.cif
134773	2015-04-04	cif/ Updating files of 4342504, 4342505, 4342506, 4342507, 4342508, 4342509, 4342510 Original log message: Adding full bibliography for 4342504--4342510.cif.	4342504.cif
132384	2015-02-25	cif/ Adding structures of 4342504 via cif-deposit CGI script.	4342504.cif