Crystallography Open Database

Information card for entry 4512638

Preview

Coordinates	4512638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H43.5 Cr F Mn N O19
Calculated formula	C33 H43.5 Cr F Mn N O19
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	16.8907 ± 0.0006 Å
b	14.2315 ± 0.0004 Å
c	32.9968 ± 0.001 Å
α	90°
β	91.3408 ± 0.0011°
γ	90°
Cell volume	7929.6 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1128
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4512638.cif
134743	2015-04-04	cif/ Updating files of 4512637, 4512638 Original log message: Adding full bibliography for 4512637--4512638.cif.	4512638.cif
131193	2015-02-06	cif/ Adding structures of 4512638 via cif-deposit CGI script.	4512638.cif