Crystallography Open Database

Information card for entry 4082924

Preview

Coordinates	4082924.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 3
Formula	C16 H10 Mn N3 O3
Calculated formula	C16 H10 Mn1.03 N3 O3
Title of publication	Cymantrene‒Triazole “Click” Products: Structural Characterization and Electrochemical Properties
Authors of publication	Day, David P.; Dann, Thomas; Hughes, David. L.; Oganesyan, Vasily S.; Steverding, Dietmar; Wildgoose, Gregory G.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	18
Pages of publication	4687
a	33.3395 ± 0.0013 Å
b	5.9474 ± 0.0002 Å
c	14.4477 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2864.74 ± 0.18 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P 21 c n
Hall space group symbol	P -2n 2a
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1611
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
178718 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/29.	4082924.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4082924.cif
108700	2014-04-02	cif/ Adding structures of 4082924, 4082925 via cif-deposit CGI script.	4082924.cif