Crystallography Open Database

Information card for entry 4512637

Preview

Coordinates	4512637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H65 Cr2 Mn2 N3 O37
Calculated formula	C53 H65 Cr2 Mn2 N3 O37
Title of publication	Three-Dimensional Architectures of [MnIICrIII(oxalate)3]−Complexes with Cage-Type Networks Surrounding Supramolecular Cations
Authors of publication	Endo, Toru; Kubo, Kazuya; Yoshitake, Masashi; Noro, Shin-ichiro; Hoshino, Norihisa; Akutagawa, Tomoyuki; Nakamura, Takayoshi
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	3
Pages of publication	1186
a	24.8834 ± 0.0005 Å
b	22.8378 ± 0.0005 Å
c	24.3802 ± 0.0006 Å
α	90°
β	105.497 ± 0.007°
γ	90°
Cell volume	13351.1 ± 0.7 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.2762
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179674 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/26.	4512637.cif
134743	2015-04-04	cif/ Updating files of 4512637, 4512638 Original log message: Adding full bibliography for 4512637--4512638.cif.	4512637.cif
131192	2015-02-06	cif/ Adding structures of 4512637 via cif-deposit CGI script.	4512637.cif