Crystallography Open Database

Information card for entry 7224505

Preview

Coordinates	7224505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Co N2 O8
Calculated formula	C24 H32 Co N2 O8
SMILES	[O]12[Co]34([OH2])([OH2])[N](CC[O]4CC[N]3(CC2)Cc2ccc(cc2)C(=O)[O-])(CC1)Cc1ccc(cc1)C(=O)[O-]
Title of publication	A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms
Authors of publication	Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	14
Pages of publication	2425
a	9.7472 ± 0.0009 Å
b	22.777 ± 0.002 Å
c	7.0903 ± 0.0007 Å
α	90°
β	131.453 ± 0.006°
γ	90°
Cell volume	1179.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
181617 (current)	2016-04-05	cif/ Updating files of 7224504, 7224505, 7224506 Original log message: Adding full bibliography for 7224504--7224506.cif.	7224505.cif
177615	2016-03-05	cif/ Adding structures of 7224504, 7224505, 7224506 via cif-deposit CGI script.	7224505.cif