Crystallography Open Database

Information card for entry 7009740

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Coordinates	7009740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H64 N14 O20
Calculated formula	C36 H62 N14 O20
Title of publication	Protonated azacryptate hosts for nitrate and perchlorate
Authors of publication	Hynes, Michael J.; Maubert, Beatrice; McKee, Vickie; Town, Raewyn M.; Nelson, Jane
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	16
Pages of publication	2853
a	10.1676 ± 0.0008 Å
b	10.3453 ± 0.0008 Å
c	25.51 ± 0.002 Å
α	80.453 ± 0.002°
β	84.666 ± 0.002°
γ	62.182 ± 0.002°
Cell volume	2340 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.6923 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179801 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/97.	7009740.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009740.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009740.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009740.cif