Crystallography Open Database

Information card for entry 4067694

Preview

Coordinates	4067694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H78 Fe N8 O3 Sn
Calculated formula	C52 H60 Fe N8 O Sn
Title of publication	Mononuclear and Mixed-Metal Dimethyltin Pacman Complexes of a Schiff-Base Pyrrole Macrocycle
Authors of publication	Leeland, James W.; Slawin, Alexandra M. Z.; Love, Jason B.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	4
Pages of publication	714
a	10.3372 ± 0.0009 Å
b	18.6247 ± 0.0018 Å
c	31.59 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6081.9 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	57
Hermann-Mauguin space group symbol	P c m b
Hall space group symbol	-P 2bc 2c
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
178567 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/76.	4067694.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067694.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067694.cif
34267	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067694 via cif-deposit CGI script.	4067694.cif