Crystallography Open Database

Information card for entry 7233530

Preview

Coordinates	7233530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 N4 O6
Calculated formula	C12 H32 N4 O6
Title of publication	Unusual isomorphism in crystals of organic solvates with hydrazine and water
Authors of publication	Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	38
Pages of publication	5693
a	7.792 ± 0.0007 Å
b	14.2386 ± 0.0013 Å
c	7.9049 ± 0.0007 Å
α	90°
β	94.487 ± 0.001°
γ	90°
Cell volume	874.34 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
223727 (current)	2019-11-07	cif/ Updating files of 7233530, 7233531, 7233532 Original log message: Adding full bibliography for 7233530--7233532.cif.	7233530.cif
217805	2019-08-29	cif/ Adding structures of 7233530, 7233531, 7233532 via cif-deposit CGI script.	7233530.cif