Crystallography Open Database

Information card for entry 7018698

Preview

Coordinates	7018698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Bi2 N8 O18
Calculated formula	C38 H42 Bi2 N8 O18
SMILES	C1(O[Bi]234([n]5c(C(=O)O[Bi]678([n]9c1cccc9C(=O)O6)[n]1c(C(=O)O7)cccc1C(=O)O8)cccc5C(=O)O2)[n]1c(C(O3)=O)cccc1C(=O)O4)=O.N(C)(C)C=O.[NH2+](C)C.N(C)(C)C=O.[NH2+](C)C
Title of publication	Bismuth 2,6-pyridinedicarboxylates: Assembly of molecular units into coordination polymers, CO(2) sorption and photoluminescence.
Authors of publication	Thirumurugan, A.; Li, Wei; Cheetham, Anthony K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	14
Pages of publication	4126 - 4134
a	9.2386 ± 0.0005 Å
b	10.7144 ± 0.0006 Å
c	12.2516 ± 0.0006 Å
α	79.607 ± 0.004°
β	68.55 ± 0.005°
γ	78.703 ± 0.005°
Cell volume	1098.98 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	119.7 ± 0.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0475
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179890 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/86.	7018698.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018698.cif
52165	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018696, 7018697, 7018698, 7018699, 7018700, 7018701 via cif-deposit CGI script.	7018698.cif