Crystallography Open Database

Information card for entry 4326375

Preview

Coordinates	4326375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H106 N Na3 O8
Calculated formula	C65 H106 N Na3 O8
SMILES	c12c(c(cc(c1)C(C)(C)C)C(C)(C)C)[O]1[Na]34([N]5(Cc6cc(cc(c6[O]4([Na]([O]3c3c(cc(cc3C(C)(C)C)C(C)(C)C)C5)([O]3CCCC3)[O]3CCCC3)[Na]1([O]1CCCC1)[O]1CCCC1)C(C)(C)C)C(C)(C)C)C2)[O]1CCCC1
Title of publication	Multimetallic Synergic Sedation of a Labile Sodium Atrane: Synthesis and Characterization of a Tetranuclear Sodium Atrane Cation Complex
Authors of publication	Jinfeng Zhang; Ai Liu; XiaoBo Pan; Lihui Yao; Lei Wang; Jianguo Fang; Jincai Wu
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9564 - 9570
a	11.073 ± 0.006 Å
b	26.684 ± 0.015 Å
c	11.873 ± 0.007 Å
α	90°
β	104.451 ± 0.007°
γ	90°
Cell volume	3397 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.3677
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.3245
Goodness-of-fit parameter for all reflections included in the refinement	0.782
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
179366 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/63.	4326375.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326375.cif
48539	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326375 via cif-deposit CGI script.	4326375.cif