Crystallography Open Database

Information card for entry 4319431

4319430 << 4319431 >> 4319432

Preview

Coordinates	4319431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H26 Mo N4 O6
Calculated formula	C12 H26 Mo N4 O6
Title of publication	N-Monofunctionalized 1,4,7-Triazacyclononane Macrocycles as Building Blocks in Inorganic Crystal Engineering
Authors of publication	Patrick C. McGowan; Thomas J. Podesta; Mark Thornton-Pett
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1445 - 1453
a	7.0029 ± 0.0002 Å
b	14.9415 ± 0.0006 Å
c	17.2168 ± 0.0004 Å
α	72.396 ± 0.0018°
β	82.723 ± 0.002°
γ	89.19 ± 0.002°
Cell volume	1702.71 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179274 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/94.	4319431.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319431.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319431.cif
16163	2011-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4319431 via cif-deposit CGI script.	4319431.cif