Crystallography Open Database

Information card for entry 4109338

Preview

Coordinates	4109338.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SIMOF-4a
Formula	C34 H42 N4 Ni O14
Calculated formula	C34 H32 N4 Ni O14
Title of publication	Chiral Induction in the Ionothermal Synthesis of a 3-D Coordination Polymer
Authors of publication	Zhuojia Lin; Alexandra M. Z. Slawin; Russell E. Morris
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	4880 - 4881
a	11.1918 ± 0.0016 Å
b	11.1918 ± 0.0016 Å
c	31.561 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3953.2 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.7848 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178839 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93.	4109338.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109338.cif
58104	2012-05-25	cif/ Adding structures of 4109338 via cif-deposit CGI script.	4109338.cif