Crystallography Open Database

Information card for entry 7125469

Preview

Coordinates	7125469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H753 Mo154 N22 Na3 O804 S22
Calculated formula	C44 Mo154 O756
Title of publication	On the option of generating novel type surfaces with multiphilic ligands within the cavity of a giant metal‒oxide based wheel type cluster: chemical reactions with well-defined nanoobjects
Authors of publication	Müller, Achim; Das, Samar K.; Kuhlmann, Christoph; Bögge, Hartmut; Schmidtmann, Marc; Diemann, Ekkehard; Krickemeyer, Erich; Hormes, Josef; Modrow, Hartwig; Schindler, Matthias
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	7
Pages of publication	655
a	36.243 ± 0.002 Å
b	42.788 ± 0.002 Å
c	31.541 ± 0.0015 Å
α	90°
β	107.886 ± 0.001°
γ	90°
Cell volume	46549 ± 4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1517
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for all reflections	0.2456
Weighted residual factors for significantly intense reflections	0.1793
Goodness-of-fit parameter for all reflections	1.011
Goodness-of-fit parameter for significantly intense reflections	1.099
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
244991 (current)	2019-12-11	cif/7/12/54/ Corrected the value of the '_diffrn_radiation_type' data item in entry 7125469 after consulting the original publication.	7125469.cif
243898	2019-11-28	cif/ Adding structures of 7125469 via cif-deposit CGI script.	7125469.cif