Crystallography Open Database

Information card for entry 7220664

7220663 << 7220664 >> 7220665

Preview

Coordinates	7220664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Hg2 N4 O3
Calculated formula	C26 H22 Hg2 N4 O3
SMILES	c1(cc(cc(c1)O)O)O.c1cnccc1[Hg]c1cc[n](cc1)[Hg](c1ccncc1)c1ccncc1
Title of publication	Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes
Authors of publication	Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	29
Pages of publication	5474
a	26.22 ± 0.005 Å
b	9.0815 ± 0.0018 Å
c	10.654 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2536.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1178
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	0.867
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
153121 (current)	2015-08-08	cif/ Updating files of 7220659, 7220660, 7220661, 7220662, 7220663, 7220664 Original log message: Adding full bibliography for 7220659--7220664.cif.	7220664.cif
137848	2015-06-04	cif/ Adding structures of 7220659, 7220660, 7220661, 7220662, 7220663, 7220664 via cif-deposit CGI script.	7220664.cif