Crystallography Open Database

Information card for entry 1529357

Preview

Coordinates	1529357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H14 Mn N8 O8
Calculated formula	C6 H14 Mn N8 O8
Title of publication	Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.
Authors of publication	Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2015
Journal volume	20
Journal issue	7
Pages of publication	12341 - 12363
a	5.2482 ± 0.0009 Å
b	6.533 ± 0.0011 Å
c	10.6128 ± 0.0018 Å
α	90.532 ± 0.01°
β	102.774 ± 0.011°
γ	109.139 ± 0.01°
Cell volume	333.93 ± 0.1 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	0.0603
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.226
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
152926 (current)	2015-08-05	cif/ Adding structures of 1529357 via cif-deposit CGI script.	1529357.cif