Crystallography Open Database

Information card for entry 4344576

Preview

Coordinates	4344576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112.42 H178 I8 Mo6 N2 O14
Calculated formula	C112.42 H178 I8 Mo6 N2 O14
Title of publication	X-ray Inducible Luminescence and Singlet Oxygen Sensitization by an Octahedral Molybdenum Cluster Compound: A New Class of Nanoscintillators.
Authors of publication	Kirakci, Kaplan; Kubát, Pavel; Fejfarová, Karla; Martinčík, Jiří; Nikl, Martin; Lang, Kamil
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	2
Pages of publication	803 - 809
a	14.4212 ± 0.0002 Å
b	14.6648 ± 0.0003 Å
c	17.2369 ± 0.0003 Å
α	65.604 ± 0.002°
β	71.938 ± 0.001°
γ	64.448 ± 0.002°
Cell volume	2956.31 ± 0.11 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for significantly intense reflections	1.66
Goodness-of-fit parameter for all reflections included in the refinement	1.54
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
175508 (current)	2016-02-04	cif/ Adding structures of 4344576 via cif-deposit CGI script.	4344576.cif